SCHEMBL38661981

SCHEMBL38661981

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCOC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.50
LPAR3 Q9UBY5 6/20 0.48
ENPP2 Q13822 3/20 0.48
LPAR1 Q92633 3/20 0.48
LPAR2 Q9HBW0 2/20 0.48
BCL9 O00512 1/20 0.48
CTNNB1 P35222 1/20 0.48
PRKCA P17252 1/20 0.48
PRKCE Q02156 1/20 0.48
PRKCQ Q04759 1/20 0.48
PRKCD Q05655 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
MGLL Q99685 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NR5A2 O00482 1/20 0.46
NR5A1 Q13285 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21465372 0.95 ALDH1A1 (0.57) ALDH1A1LMNAMAPTLPAR3ENPP2
SCHEMBL21465370 0.95 ALDH1A1 (0.57) ALDH1A1LMNAMAPTLPAR3ENPP2
SCHEMBL31112730 0.91 MAPT (0.54) ALDH1A1LMNAMAPTLPAR3ENPP2
SCHEMBL38661506 0.91 ALDH1A1 (0.60) ALDH1A1LMNAMAPTLPAR3ENPP2
SCHEMBL14178694 0.89 BCL9 (0.49) ALDH1A1LMNAMAPTLPAR3ENPP2
SCHEMBL29626984 0.89 HTR2A (0.55) ALDH1A1LMNAMAPTLPAR3ENPP2
SCHEMBL18647577 0.88 HTR2A (0.54) ALDH1A1LMNAMAPTLPAR3ENPP2
SCHEMBL21465382 0.87 ALDH1A1 (0.58) ALDH1A1LMNAMAPTBCL9CTNNB1
SCHEMBL16829991 0.87 MAPT (0.46) ALDH1A1LMNAMAPTLPAR3ENPP2
SCHEMBL19601549 0.85 HTR2A (0.53) ALDH1A1LMNAMAPTLPAR3ENPP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122070276-A Prodrugs of xanomeline, prodrugs of trospium chloride and methods of using the same 人类生物科学股份有限公司 2026-05-19 CN disclosed